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CHEBI:175588 - 17-alpha-Estradiol-3-glucuronide

ChEBI IDCHEBI:175588
ChEBI Name17-alpha-Estradiol-3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
SMILESC[C@]12CCC3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CCC3C1CC[C@@H]2O
InChIInChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKeyMUOHJTRCBBDUOW-RNFKDHMMSA-N
ChEBI Ontology
Outgoing Relation(s)
17-alpha-Estradiol-3-glucuronide (CHEBI:175588) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0010322HMDB
LMST05010057LIPID MAPS
60018ChemSpider